SCHEMBL505031

SCHEMBL505031

CC(C)(C)OC(=O)N1CC(O)C(NC(=O)c2cccc(C#N)c2)C1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 5/20 0.50
DGAT2 Q96PD7 1/20 0.48
EGLN2 Q96KS0 1/20 0.41
ADAM17 P78536 2/20 0.40
GRM5 P41594 3/20 0.40
GPR119 Q8TDV5 2/20 0.40
NAMPT P43490 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39
MMP10 P09238 1/20 0.39
MMP12 P39900 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2190446 0.84 USP30 (0.67) USP30DGAT2ADAM17GPR119NAMPT
SCHEMBL505167 0.83 GRM5 (0.44) USP30GRM5NAMPT
SCHEMBL23713389 0.81 USP30 (0.72) USP30GRM5
SCHEMBL23464149 0.78 USP30 (0.55) USP30DGAT2ADAM17GPR119KDM4E
SCHEMBL16032847 0.77 USP30 (0.60) USP30DGAT2ADAM17GPR119KDM4E
SCHEMBL16032849 0.77 USP30 (0.60) USP30DGAT2ADAM17GPR119KDM4E
SCHEMBL7611773 0.77 USP30 (0.62) USP30DGAT2ADAM17KDM4EPKM
SCHEMBL222011 0.75 GPR119 (0.53) GRM5GPR119NAMPT
SCHEMBL31421094 0.75 USP30 (0.51) USP30GPR119KDM4E
SCHEMBL31265195 0.75 CYP2D6 (0.45) USP30GPR119

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414340-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-02-08 EP disclosed
US-20120029190-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2012-02-02 US disclosed
US-20120029190-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2012-02-02 US disclosed
WO-2010114971-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2010-10-07 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120029190-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 USP30 1351/4885DGAT2 711/4885EGLN2 2182/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.